CID 165646727

2792186-69-5

Structural Information

Molecular Formula
C10H6F4O2
SMILES
C1C2=C(C=CC(=C2)C(=O)O)C(C1(F)F)(F)F
InChI
InChI=1S/C10H6F4O2/c11-9(12)4-6-3-5(8(15)16)1-2-7(6)10(9,13)14/h1-3H,4H2,(H,15,16)
InChIKey
MVAZEQSKQRKIRJ-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-3H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03768 140.8
[M+Na]+ 257.01962 152.7
[M-H]- 233.02312 140.1
[M+NH4]+ 252.06422 165.1
[M+K]+ 272.99356 148.5
[M+H-H2O]+ 217.02766 134.1
[M+HCOO]- 279.02860 158.1
[M+CH3COO]- 293.04425 187.3
[M+Na-2H]- 255.00507 144.7
[M]+ 234.02985 136.2
[M]- 234.03095 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.